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4948-28-1 | Bicyclo[3.1.1]heptan-2-ol,2,6,6-trimethyl-, (1R,2S,5S)-rel-
CAS No: 4948-28-1 Catalog No: AG006ZVD MDL No:
Product Description
Catalog Number:
AG006ZVD
Chemical Name:
Bicyclo[3.1.1]heptan-2-ol,2,6,6-trimethyl-, (1R,2S,5S)-rel-
CAS Number:
4948-28-1
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
(1R,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
InChI:
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10-/m0/s1
InChI Key:
YYWZKGZIIKPPJZ-XKSSXDPKSA-N
SMILES:
CC1(O)CC[C@H]2C[C@@H]1C2(C)C
EC Number:
225-591-4
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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